[1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol

C12H23NO — CID 114472457

IUPAC[1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol
SMILESC=C(C)CCNCC1(CO)CCCC1
InChIInChI=1S/C12H23NO/c1-11(2)5-8-13-9-12(10-14)6-3-4-7-12/h13-14H,1,3-10H2,2H3
InChIKeyMJXOQVAVFXXXTA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds6

About [1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol

[1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol (PubChem CID 114472457) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol
PubChem CID114472457
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol
SMILESC=C(C)CCNCC1(CO)CCCC1
InChIInChI=1S/C12H23NO/c1-11(2)5-8-13-9-12(10-14)6-3-4-7-12/h13-14H,1,3-10H2,2H3
InChIKeyMJXOQVAVFXXXTA-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

({[(3-Methylbutyl)amino]methyl}cyclopentyl)methan-1-ol
CID 22736527
Cyclopentanemethanol, 1-[(ethylamino)methyl]-
CID 115358759
[4-(2-Methylprop-2-enyl)piperidin-4-yl]methanol
CID 156796666
6-(Ethylamino)-3,3,5,5-tetramethyl-2-methylidenehexan-1-ol
CID 163982710
2-[(2-Methylprop-2-enylamino)methyl]cyclopentan-1-ol
CID 65838840
[1-(2-Methylidenebutylamino)cyclopentyl]methanol
CID 66045706
2-[(2-Methylidenebutylamino)methyl]cyclopentan-1-ol
CID 66046902
[1-[(4-Methylpentylamino)methyl]cyclopentyl]methanol
CID 83155907
[2-(Hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol
CID 86790074
[(1R,2R)-2-[[(2S)-hex-5-en-2-yl]amino]-1-methylcyclopentyl]methanol
CID 97879835
[(1R,2R)-2-[[(2R)-hex-5-en-2-yl]amino]-1-methylcyclopentyl]methanol
CID 97879836
[(1R,2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-methylcyclopentyl]methanol
CID 97879837

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol (CID 114472457) is [1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol is C=C(C)CCNCC1(CO)CCCC1.
What is the InChIKey of [1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol?
The InChIKey is MJXOQVAVFXXXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)5-8-13-9-12(10-14)6-3-4-7-12/h13-14H,1,3-10H2,2H3.
What are the key properties of [1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol?
[1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylbut-3-enylamino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 114472457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).